2-Methyl-8-Quinolyl 8-Chloro-5,5-Dioxoimidazo(1,2-B)(1,4,2)Benzodithiazine-7-Carboxylate

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Formula C20H12ClN3O4S2
IUPAC Name (2-methylquinolin-8-yl) 8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxylate
Molecular Mass 457.910 g·mol−1
Heat of Formation -174.7 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 468.09 Å 3
Surface Area 400.01 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
InChIKey PBLMHZGUFVOFID-UHFFFAOYSA-N
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